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Phomolide b

  • Formula: C12H18O4

  • Molecular weight: 226.27

  • Smiles: CCCC1CC2C(O2)C=CC(CC(=O)O1)O

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Phomolide b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Phomolide b

  • First synonym: Phomolide b

  • Synonyms: Phomolide B

Identifiers / External links

Structure

  • Smiles: CCCC1CC2C(O2)C=CC(CC(=O)O1)O

  • Isomeric smiles: CCC[C@H]1C[C@@H]2[C@@H](O2)/C=C\[C@H](CC(=O)O1)O

  • Inchi: InChI=1S/C12H18O4/c1-2-3-9-7-11-10(16-11)5-4-8(13)6-12(14)15-9/h4-5,8-11,13H,2-3,6-7H2,1H3/b5-4-/t8-,9+,10+,11-/m1/s1

  • Inchikey: VHLQBMDWATUSGI-ZUPRRRNMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H18O4

  • Molecular weight: 226.27

  • Monoisotopic mass: 226.12050905

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